SCHEMBL7514224

SCHEMBL7514224

CCOC(=O)c1c[nH]c2cc(Br)c(C3CC3)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.61
GABRB2 P47870 4/20 0.61
GABRB1 P18505 3/20 0.61
GABRA3 P34903 3/20 0.61
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
CLEC4M Q9H2X3 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5193579 0.86 GABRA1 (0.56) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL4965511 0.84 GABRA1 (0.56) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL12786969 0.83 GABRA1 (0.69) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL3720055 0.82 GABRA1 (0.67) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL7511784 0.82 KDM4E (0.48) MEN1KMT2AALDH1A1TP53HPGD
SCHEMBL10519075 0.81 GABRA1 (0.66) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL2909775 0.80 GABRA1 (0.65) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL2910577 0.80 GABRA1 (0.65) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL13930267 0.80 GABRA1 (0.67) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL17242463 0.79 GABRA1 (0.66) GABRA1GABRB2GABRB1GABRA3MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226146-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2002-07-31 EP disclosed
WO-2001032655-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2001-05-10 WO disclosed